ChemSpider 2D Image | N~2~-(4-Aminobutyl)-9-cyclopentyl-N~6~-[4-(1,3-thiazol-2-yloxy)phenyl]-9H-purine-2,6-diamine | C23H28N8OS

N2-(4-Aminobutyl)-9-cyclopentyl-N6-[4-(1,3-thiazol-2-yloxy)phenyl]-9H-purine-2,6-diamine

  • Molecular FormulaC23H28N8OS
  • Average mass464.586 Da
  • Monoisotopic mass464.210663 Da
  • ChemSpider ID127422238

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9H-Purine-2,6-diamine, N2-(4-aminobutyl)-9-cyclopentyl-N6-[4-(2-thiazolyloxy)phenyl]- [ACD/Index Name]
N2-(4-Aminobutyl)-9-cyclopentyl-N6-[4-(1,3-thiazol-2-yloxy)phenyl]-9H-purin-2,6-diamin [German] [ACD/IUPAC Name]
N2-(4-Aminobutyl)-9-cyclopentyl-N6-[4-(1,3-thiazol-2-yloxy)phenyl]-9H-purine-2,6-diamine [ACD/IUPAC Name]
N2-(4-Aminobutyl)-9-cyclopentyl-N6-[4-(1,3-thiazol-2-yloxy)phényl]-9H-purine-2,6-diamine [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4464192/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 721.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 390.4±35.7 °C
Index of Refraction: 1.751
Molar Refractivity: 129.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.09
ACD/LogD (pH 7.4): 0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.99
Polar Surface Area: 144 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 64.3±7.0 dyne/cm
Molar Volume: 316.7±7.0 cm3

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